Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP], mitochondrial [R140Q]' and Ligand = 'BDBM279923'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM279923 (US10028961, Compound 73 | US10172864, Compound 73 ...) Show SMILES CC(C)(C)CNc1nc(NCC(C)(C)C)nc(n1)-c1cccc(N)n1 Show InChI InChI=1S/C18H29N7/c1-17(2,3)10-20-15-23-14(12-8-7-9-13(19)22-12)24-16(25-15)21-11-18(4,5)6/h7-9H,10-11H2,1-6H3,(H2,19,22)(H2,20,21,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM279923 (US10028961, Compound 73 | US10172864, Compound 73 ...) Show SMILES CC(C)(C)CNc1nc(NCC(C)(C)C)nc(n1)-c1cccc(N)n1 Show InChI InChI=1S/C18H29N7/c1-17(2,3)10-20-15-23-14(12-8-7-9-13(19)22-12)24-16(25-15)21-11-18(4,5)6/h7-9H,10-11H2,1-6H3,(H2,19,22)(H2,20,21,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM279923 (US10028961, Compound 73 | US10172864, Compound 73 ...) Show SMILES CC(C)(C)CNc1nc(NCC(C)(C)C)nc(n1)-c1cccc(N)n1 Show InChI InChI=1S/C18H29N7/c1-17(2,3)10-20-15-23-14(12-8-7-9-13(19)22-12)24-16(25-15)21-11-18(4,5)6/h7-9H,10-11H2,1-6H3,(H2,19,22)(H2,20,21,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10172864 (2019) BindingDB Entry DOI: 10.7270/Q2ZK5JQ3
					More data for this Ligand-Target Pair